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81.
82.
We present a comparative study on the C-H stretching vibrations at air/DMSO (dimethyl sulfoxide) interface with both the free-induction decay (FID) coherent vibrational dynamics and the sub-wavenumber high resolution sum-frequency generation vibrational spectroscopy measurements. In principle the frequency-domain and time-domain spectroscopic measurements should generate identical information for a given molecular system. However, when the molecular systems are with several coupled or overlapping vibrational modes, obtain- ing detailed spectroscopic and coherent dynamics information is not as straightforward and rather difficult from either the time-domain or the frequency domain measurements. For the case of air/DMSO interface that is with moderately complex vibrational spectra, we show that the frequency-domain measurement with sub-wavenumber high-resolution sum-frequency generation vibrational spectroscopy is probably more advantageous than the time- domain measurement in obtaining quantitative understanding of the structure and coherent dynamics of the molecular interface. 相似文献
83.
N,N,N',N'-Tetrabromobenzene-1,3-disulfonamide (TBBDA)/triphenylphosphine and N,N,N',N'-tetra- chlorobenzene-1,3-disulfonamide (TCBDA)/triphenylphosphine have been introduced as highly efficient systems for the versatile conversion of aldoxime derivatives into nitriles. The process reported here is operationally simple and reactions have been mildly performed in dichloromethane at room temperature. 相似文献
84.
The reaction of furan-2,3-diones with S-methylisothiosemicarbazide hydroiodide yielded novel 1,2,4- triazine-5(4H)-ones, and reaction of furan-2,3-diones with diaminomaleonitrile led to the formation of pyrazine-2,3-dicarbonitrile derivatives, and the hydrolysis of these products led to the formation of more new pyrazine-2,3-dicarbonitrile derivatives. These compounds are potential herbicides and pesticides. 相似文献
85.
The novel chelating sponge modifed with hydroxamic acid groups was prepared by a grafting polymerization followed by a nucleophilic substitution reaction.Elementary analysis,SEM,FT-IR spectroscopy and XPS were used to characterize the spongy adsorbent(PVA-MA-HH).Adsorption isotherm study indicated that PVA-MA-HH had high equilibrium adsorption capacity for Cu2+. 相似文献
86.
建立了硝酸提取,高效液相色谱一原子荧光联用技术测定方便面中不同砷形态的分析方法。样品经0.15mol/L盐酸溶液超声提取后离心过滤,上机测试。实验表明:砷的4种形态亚砷酸[As(Ⅲ)]、砷酸[As(V)]、一甲基胂酸(MMA)和二甲基胂酸(DMA)的线性范围为0-50μg/L,相关系数(r)均优于0.9990,检出限在2~8μg/L之间,砷各形态的测量重复性(以RSD表示)均小于5%,样品的加标回收率为78%-118%。同时用原子荧光光度计检测了样品中总砷,并将两种方法测定结果进行了对比,结果符合理论以及文献报道。该方法操作简单快速、结果准确可靠,适用于方便面中砷形态的分析测定。 相似文献
87.
With the B3LYP calculation method of density functional theory(DFT)and the 6-31G* basis set,full optimization calculation was made for phenoxathiin10-oxide(PTO)and 135 polybromine phenoxathiin 10-oxides(PBPTOs)with the Gaussian 03 program and molar heat capacity in constant volume(CVθ)value of each molecule in the standard state was obtained.The relation between CVθ and the substitution position and number of bromine atom(NPBS)was studied,and the results indicated good correlation(R2 = 1.000)between CVθ and NPBS of PBPTO compounds.Based on the output file of Gaussian 03 program,molar heat capacity at constant pressure(Cp,m)of PBPTO compounds from 200 to 1,000 K was calculated with the statistical thermodynamics program,and the correlation equation between Cp,m and temperature(T,T-1 and T-2)was obtained with the least-squares method,and the correlation coefficient of the correlation equation(R2)was 1.000.In addition,based on the partition function of each molecule calculated by vibration analysis,the relative rate constant of formation of each molecule was calculated. 相似文献
88.
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90.
Studies on the Molecular Chain Conformation Stability of Aminated Konjac Glucomannan 总被引:2,自引:0,他引:2
Konjac glucomannan (KGM) was aminated by 2-chloroethyl-amine (CEA) as reagent so as to study the influence of concentration of CEA (based on the amount of KGM), concentration of NaOH, reaction time and temperature on the extent of amination. And the molecular simulation technology was adopted to analyze the conformation stability of aminate (AKGM). The results indicate that when the amount of CEA is higher, the extent of amination is higher. The optimum concentration of NaOH, reaction time and temperature are 10% NaOH, 70 ℃ and 45 rain, respectively. IR shows KGM is successfully aminated. The conformation of AKGM is in a random clew-like shape. 相似文献